8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane

C14H25N5 — CID 56711732

IUPAC8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCCn1ncnc1CN1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C14H25N5/c1-3-19-13(15-12-16-19)10-18-8-5-14(6-9-18)4-7-17(2)11-14/h12H,3-11H2,1-2H3
InChIKeyLASSYMWYKGVLFF-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.22
Rot. Bonds3

About 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane

8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 56711732) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID56711732
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCCn1ncnc1CN1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C14H25N5/c1-3-19-13(15-12-16-19)10-18-8-5-14(6-9-18)4-7-17(2)11-14/h12H,3-11H2,1-2H3
InChIKeyLASSYMWYKGVLFF-UHFFFAOYSA-N
XLogP1.22
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane (CID 56711732) is 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane is CCn1ncnc1CN1CCC2(CCN(C)C2)CC1.
What is the InChIKey of 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is LASSYMWYKGVLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-19-13(15-12-16-19)10-18-8-5-14(6-9-18)4-7-17(2)11-14/h12H,3-11H2,1-2H3.
What are the key properties of 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane?
8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 263.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56711732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).